Chemical Data Scientist (Cheminformatics & ML)

About the role

Variational AI is seeking a Chemical Data Scientist to accelerate drug discovery using advanced machine learning and cheminformatics. You will work with a multidisciplinary team of ML scientists, computational chemists, and medicinal chemists to build generative models for molecular design.

Key responsibilities

• Identify, curate, and prepare diverse datasets (potency, ADMET, gene expression, cell painting).
• Characterize dataset errors and noise, develop cleaning and filtering pipelines.
• Design data loaders and integrate chemical data into ML workflows.
• Develop ligand‑ and structure‑based featurizations and apply traditional cheminformatics techniques.

Required profile

• B.S., M.S., or Ph.D. in data science, statistics, computer science, physics, chemistry or related field.
• Experience analyzing messy, multi‑source experimental datasets.
• Two or more years in small‑molecule drug discovery (preferred).
• Intellectual curiosity and drive to excel.

Required skills

• Strong Python programming.
• Proficiency with cheminformatics libraries such as RDKit.
• Data analysis tools: pandas, seaborn, Matplotlib.
• SQL experience (preferred).

What we offer

• Competitive cash and equity compensation.
• Opportunity to collaborate with leading experts in AI and chemistry.
• Flexible remote work within Canada.